1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide

C12H20N4O — CID 102804722

IUPAC1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H20N4O/c1-8-4-12(5-8,7-13)11(17)14-10-6-16(3)15-9(10)2/h6,8H,4-5,7,13H2,1-3H3,(H,14,17)
InChIKeyJHKXWAOIMRXPRE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.04
Rot. Bonds3

About 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide (PubChem CID 102804722) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide
PubChem CID102804722
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H20N4O/c1-8-4-12(5-8,7-13)11(17)14-10-6-16(3)15-9(10)2/h6,8H,4-5,7,13H2,1-3H3,(H,14,17)
InChIKeyJHKXWAOIMRXPRE-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide (CID 102804722) is 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide is Cc1nn(C)cc1NC(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is JHKXWAOIMRXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-12(5-8,7-13)11(17)14-10-6-16(3)15-9(10)2/h6,8H,4-5,7,13H2,1-3H3,(H,14,17).
What are the key properties of 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 102804722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).